 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Zn_re_ligand_energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Zn_re_ligand_energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-1756.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      1759.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
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 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                17-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Zn_re_ligand_energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                     2.98275  -2.51787  -1.5799 
 O                     2.28272  -1.46794  -1.70419 
 N                     2.44038  -3.71063  -1.18986 
 C                     1.00344  -3.90008  -0.97619 
 C                     0.52521  -3.44035   0.40889 
 O                     0.98945  -2.36982   0.92679 
 N                    -0.44869  -4.17781   0.9825 
 H                     0.45005  -3.26418  -1.67914 
 H                     0.75047  -4.94894  -1.1639 
 H                     3.05554  -4.50557  -1.06494 
 H                    -0.80406  -4.98166   0.47496 
 C                    -1.21373  -3.74757   2.16913 
 H                    -1.37167  -4.60159   2.83576 
 H                    -0.64151  -2.97842   2.69171 
 H                    -2.1737   -3.32858   1.84519 
 C                     4.46995  -2.51088  -1.88428 
 H                     4.61641  -2.32745  -2.95534 
 H                     4.94282  -1.68647  -1.34117 
 H                     4.96965  -3.44888  -1.62136 
 
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.982754   -2.517874   -1.579896
      2          8           0        2.282721   -1.467935   -1.704189
      3          7           0        2.440382   -3.710626   -1.189861
      4          6           0        1.003443   -3.900075   -0.976185
      5          6           0        0.525210   -3.440349    0.408889
      6          8           0        0.989446   -2.369824    0.926792
      7          7           0       -0.448690   -4.177811    0.982495
      8          1           0        0.450045   -3.264179   -1.679137
      9          1           0        0.750472   -4.948939   -1.163896
     10          1           0        3.055537   -4.505569   -1.064943
     11          1           0       -0.804058   -4.981658    0.474959
     12          6           0       -1.213728   -3.747568    2.169125
     13          1           0       -1.371671   -4.601591    2.835757
     14          1           0       -0.641506   -2.978416    2.691711
     15          1           0       -2.173700   -3.328579    1.845188
     16          6           0        4.469945   -2.510876   -1.884282
     17          1           0        4.616405   -2.327449   -2.955342
     18          1           0        4.942818   -1.686474   -1.341170
     19          1           0        4.969650   -3.448880   -1.621360
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.268017   0.000000
     3  N    1.367096   2.306307   0.000000
     4  C    2.488497   2.842859   1.465040   0.000000
     5  C    3.293288   3.382951   2.509369   1.535736   0.000000
     6  O    3.206038   3.067250   2.895373   2.441963   1.276621
     7  N    4.593043   4.692793   3.644740   2.454028   1.349576
     8  H    2.642240   2.566286   2.097653   1.097613   2.096792
     9  H    3.326592   3.841496   2.095206   1.095146   2.190945
    10  H    2.054606   3.198922   1.012894   2.141399   3.115996
    11  H    4.963125   5.159762   3.861805   2.557870   2.036407
    12  C    5.760014   5.694247   4.963534   3.851244   2.493335
    13  H    6.542239   6.617061   5.615262   4.545788   3.291858
    14  H    5.620853   5.491502   5.010066   4.124169   2.604973
    15  H    6.243193   5.993310   5.535994   4.287306   3.059340
    16  C    1.518037   2.429837   2.457793   3.843325   4.656553
    17  H    2.144045   2.783923   3.124928   4.409502   5.412437
    18  H    2.142444   2.693633   3.222153   4.533422   5.064982
    19  H    2.194595   3.339250   2.579128   4.043591   4.886208
                    6          7          8          9         10
     6  O    0.000000
     7  N    2.310878   0.000000
     8  H    2.807435   2.954104   0.000000
     9  H    3.328651   2.576746   1.787217   0.000000
    10  H    3.577310   4.071736   2.950741   2.349403   0.000000
    11  H    3.200388   1.014913   3.026985   2.259088   4.182635
    12  C    2.880199   1.475968   4.220299   4.050976   5.409287
    13  H    3.768263   2.113306   5.048919   4.541075   5.901258
    14  H    2.478977   2.096937   4.514140   4.548216   5.487511
    15  H    3.430474   2.107390   4.394207   4.497881   6.099105
    16  C    4.476149   5.932120   4.095015   4.505284   2.578889
    17  H    5.312964   6.677244   4.456985   5.002692   3.279348
    18  H    4.608662   6.377659   4.773718   5.315155   3.403737
    19  H    4.847625   6.055560   4.523746   4.501212   2.256107
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.135651   0.000000
    13  H    2.457642   1.094851   0.000000
    14  H    2.992222   1.091847   1.785662   0.000000
    15  H    2.546786   1.096373   1.801399   1.785171   0.000000
    16  C    6.283780   7.089686   7.795790   6.876426   7.662611
    17  H    6.942133   7.890966   8.635138   7.743293   8.375731
    18  H    6.868999   7.380606   8.112792   7.008418   7.968326
    19  H    6.330850   7.258867   7.836261   7.092883   7.940962
                   16         17         18         19
    16  C    0.000000
    17  H    1.096479   0.000000
    18  H    1.094632   1.767186   0.000000
    19  H    1.094845   1.778173   1.784741   0.000000
 Stoichiometry    C5H10N2O2
 Framework group  C1[X(C5H10N2O2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.094777   -0.092655    0.089725
      2          8           0        1.880991   -1.029657    0.916883
      3          7           0        1.164131    0.874960   -0.168289
      4          6           0       -0.109253    0.966939    0.550303
      5          6           0       -1.194655    0.034151   -0.006736
      6          8           0       -0.895352   -1.148964   -0.381464
      7          7           0       -2.457958    0.508756    0.006329
      8          1           0        0.037206    0.626261    1.583377
      9          1           0       -0.438896    2.011259    0.559046
     10          1           0        1.372809    1.573653   -0.871309
     11          1           0       -2.616991    1.440108    0.376925
     12          6           0       -3.651476   -0.326068   -0.232558
     13          1           0       -4.372794    0.227526   -0.842421
     14          1           0       -3.343500   -1.229458   -0.762809
     15          1           0       -4.094295   -0.603961    0.731143
     16          6           0        3.417728    0.018536   -0.646396
     17          1           0        4.213368    0.236449    0.075917
     18          1           0        3.650387   -0.944281   -1.112306
     19          1           0        3.421657    0.799977   -1.413220
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      4.5207102      0.7465254      0.7016710
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are   595 symmetry adapted cartesian basis functions of A   symmetry.
 There are   531 symmetry adapted basis functions of A   symmetry.
   531 basis functions,   732 primitive gaussians,   595 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       452.3518927573 Hartrees.
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=   531 RedAO= T EigKep=  8.30D-06  NBF=   531
 NBsUse=   531 1.00D-06 EigRej= -1.00D+00 NBFU=   531
 ExpMin= 3.60D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3PW91) =  -456.510908626     A.U. after   13 cycles
            NFock= 13  Conv=0.53D-08     -V/T= 2.0058

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.07405 -19.06753 -14.35113 -14.34457 -10.26608
 Alpha  occ. eigenvalues --  -10.26114 -10.22153 -10.20284 -10.16643  -1.02093
 Alpha  occ. eigenvalues --   -1.00757  -0.92953  -0.92403  -0.77263  -0.73530
 Alpha  occ. eigenvalues --   -0.69503  -0.60350  -0.59420  -0.53598  -0.50799
 Alpha  occ. eigenvalues --   -0.47918  -0.47232  -0.45962  -0.44290  -0.42647
 Alpha  occ. eigenvalues --   -0.41362  -0.40086  -0.39381  -0.38942  -0.36205
 Alpha  occ. eigenvalues --   -0.34867  -0.27542  -0.26489  -0.25133  -0.23853
 Alpha virt. eigenvalues --   -0.01916  -0.00515   0.00218   0.01002   0.01338
 Alpha virt. eigenvalues --    0.02129   0.02811   0.03779   0.04830   0.05226
 Alpha virt. eigenvalues --    0.05479   0.06187   0.06881   0.08124   0.08810
 Alpha virt. eigenvalues --    0.09298   0.09546   0.10102   0.10631   0.11214
 Alpha virt. eigenvalues --    0.11411   0.11591   0.12311   0.12716   0.13374
 Alpha virt. eigenvalues --    0.14238   0.14780   0.15591   0.16014   0.16541
 Alpha virt. eigenvalues --    0.16798   0.16878   0.17210   0.17528   0.18872
 Alpha virt. eigenvalues --    0.19042   0.19547   0.20518   0.20738   0.21111
 Alpha virt. eigenvalues --    0.22225   0.23149   0.23424   0.24337   0.24833
 Alpha virt. eigenvalues --    0.25517   0.25799   0.27020   0.27317   0.28443
 Alpha virt. eigenvalues --    0.28941   0.29374   0.30763   0.30902   0.31218
 Alpha virt. eigenvalues --    0.31918   0.32850   0.33241   0.33930   0.34140
 Alpha virt. eigenvalues --    0.34502   0.34864   0.36153   0.36394   0.37361
 Alpha virt. eigenvalues --    0.38219   0.39157   0.41007   0.41482   0.42395
 Alpha virt. eigenvalues --    0.43881   0.44401   0.45375   0.46098   0.46896
 Alpha virt. eigenvalues --    0.47583   0.48262   0.48871   0.49213   0.50486
 Alpha virt. eigenvalues --    0.50855   0.52430   0.52882   0.53558   0.53854
 Alpha virt. eigenvalues --    0.54024   0.54564   0.55515   0.55699   0.56603
 Alpha virt. eigenvalues --    0.56838   0.57318   0.57447   0.58573   0.58795
 Alpha virt. eigenvalues --    0.59418   0.60463   0.61130   0.62501   0.63049
 Alpha virt. eigenvalues --    0.63798   0.65382   0.66248   0.66934   0.67677
 Alpha virt. eigenvalues --    0.68175   0.69386   0.70502   0.71911   0.72612
 Alpha virt. eigenvalues --    0.73005   0.74399   0.75495   0.76444   0.76791
 Alpha virt. eigenvalues --    0.77907   0.78592   0.79035   0.80562   0.81070
 Alpha virt. eigenvalues --    0.81351   0.81957   0.83096   0.83593   0.84208
 Alpha virt. eigenvalues --    0.85480   0.86525   0.87120   0.87462   0.89131
 Alpha virt. eigenvalues --    0.90185   0.91322   0.91646   0.91899   0.93000
 Alpha virt. eigenvalues --    0.93645   0.95393   0.95763   0.96586   0.97512
 Alpha virt. eigenvalues --    0.98450   0.99588   1.00717   1.02128   1.02455
 Alpha virt. eigenvalues --    1.04554   1.05465   1.05755   1.07771   1.09952
 Alpha virt. eigenvalues --    1.10832   1.11419   1.13289   1.13831   1.14942
 Alpha virt. eigenvalues --    1.16168   1.18105   1.19533   1.19799   1.22035
 Alpha virt. eigenvalues --    1.23085   1.23929   1.25860   1.27406   1.29827
 Alpha virt. eigenvalues --    1.31186   1.34671   1.35361   1.35589   1.38183
 Alpha virt. eigenvalues --    1.38830   1.41552   1.42277   1.45262   1.46370
 Alpha virt. eigenvalues --    1.47146   1.49577   1.52204   1.53180   1.55164
 Alpha virt. eigenvalues --    1.56108   1.61738   1.63078   1.65933   1.68098
 Alpha virt. eigenvalues --    1.68745   1.70323   1.70887   1.72514   1.72943
 Alpha virt. eigenvalues --    1.74538   1.75392   1.76559   1.77491   1.77990
 Alpha virt. eigenvalues --    1.79677   1.80395   1.81725   1.83890   1.84662
 Alpha virt. eigenvalues --    1.86158   1.87380   1.88769   1.90610   1.91377
 Alpha virt. eigenvalues --    1.94866   1.96117   1.98059   1.98726   2.00537
 Alpha virt. eigenvalues --    2.02960   2.03741   2.04820   2.07777   2.09729
 Alpha virt. eigenvalues --    2.10715   2.13729   2.16352   2.19684   2.20393
 Alpha virt. eigenvalues --    2.22653   2.24307   2.28153   2.28681   2.30174
 Alpha virt. eigenvalues --    2.31396   2.34490   2.36044   2.38852   2.39920
 Alpha virt. eigenvalues --    2.41121   2.45196   2.46626   2.48496   2.50752
 Alpha virt. eigenvalues --    2.52967   2.55616   2.56347   2.56848   2.58638
 Alpha virt. eigenvalues --    2.60176   2.60874   2.61888   2.63147   2.63207
 Alpha virt. eigenvalues --    2.65528   2.67253   2.70205   2.73094   2.75662
 Alpha virt. eigenvalues --    2.76161   2.78924   2.81192   2.81813   2.82975
 Alpha virt. eigenvalues --    2.84544   2.85660   2.87312   2.87671   2.90943
 Alpha virt. eigenvalues --    2.91967   2.93696   2.94808   2.96378   2.97054
 Alpha virt. eigenvalues --    2.98420   3.00188   3.00857   3.02711   3.05109
 Alpha virt. eigenvalues --    3.05570   3.06682   3.08447   3.12474   3.13137
 Alpha virt. eigenvalues --    3.14276   3.14578   3.15237   3.16031   3.18619
 Alpha virt. eigenvalues --    3.19048   3.21160   3.21662   3.23916   3.24971
 Alpha virt. eigenvalues --    3.27213   3.29851   3.30920   3.33003   3.34313
 Alpha virt. eigenvalues --    3.35417   3.35666   3.40246   3.41214   3.42106
 Alpha virt. eigenvalues --    3.44375   3.45343   3.48827   3.49262   3.51223
 Alpha virt. eigenvalues --    3.51792   3.52169   3.54760   3.57030   3.59208
 Alpha virt. eigenvalues --    3.60223   3.61459   3.63924   3.71267   3.71670
 Alpha virt. eigenvalues --    3.73376   3.74378   3.76082   3.77579   3.79824
 Alpha virt. eigenvalues --    3.80531   3.84033   3.85648   3.88994   3.91537
 Alpha virt. eigenvalues --    3.92573   3.94884   3.98042   3.98657   4.02380
 Alpha virt. eigenvalues --    4.04374   4.07185   4.08148   4.11108   4.12122
 Alpha virt. eigenvalues --    4.13633   4.16395   4.17547   4.20367   4.20842
 Alpha virt. eigenvalues --    4.21307   4.22891   4.24392   4.27901   4.29795
 Alpha virt. eigenvalues --    4.33141   4.36596   4.40495   4.42501   4.43437
 Alpha virt. eigenvalues --    4.46685   4.50156   4.53712   4.57942   4.59711
 Alpha virt. eigenvalues --    4.63124   4.65126   4.66931   4.70031   4.70836
 Alpha virt. eigenvalues --    4.73535   4.74851   4.77922   4.81677   4.82895
 Alpha virt. eigenvalues --    4.83982   4.84307   4.84974   4.86918   4.88118
 Alpha virt. eigenvalues --    4.89089   4.90209   4.91501   4.93794   4.94820
 Alpha virt. eigenvalues --    4.96845   4.99741   5.03533   5.04200   5.08495
 Alpha virt. eigenvalues --    5.11875   5.12937   5.14779   5.15934   5.21165
 Alpha virt. eigenvalues --    5.21548   5.26620   5.28000   5.29507   5.31589
 Alpha virt. eigenvalues --    5.33017   5.33656   5.34808   5.36357   5.37902
 Alpha virt. eigenvalues --    5.38984   5.40404   5.56836   5.58194   5.59723
 Alpha virt. eigenvalues --    5.61074   5.65089   5.67250   5.70422   5.73369
 Alpha virt. eigenvalues --    5.87471   5.92475   6.06187   6.07770   6.17443
 Alpha virt. eigenvalues --    6.20117   6.22069   6.25023   6.66463   6.68429
 Alpha virt. eigenvalues --    6.93867   6.97369   7.23873   7.25191   7.37444
 Alpha virt. eigenvalues --    7.39974   7.51772   7.53392   7.54864   7.56004
 Alpha virt. eigenvalues --    7.62666   7.63357   7.69261   7.74974   7.81481
 Alpha virt. eigenvalues --    7.83284   7.85239   7.88568   7.89009   7.91600
 Alpha virt. eigenvalues --    7.95981   8.08248   8.18169   8.21079   8.31265
 Alpha virt. eigenvalues --    8.32368   8.33967   8.37006   8.40831   8.41750
 Alpha virt. eigenvalues --    8.43078   8.46774   8.46957   8.47378   8.49553
 Alpha virt. eigenvalues --    8.54533   8.60732   8.61939   8.63214   8.67101
 Alpha virt. eigenvalues --    8.67886   8.68171   8.70368   8.72418   8.73126
 Alpha virt. eigenvalues --    8.86635   8.92832   9.25455   9.32201   9.43845
 Alpha virt. eigenvalues --    9.49697   9.54281   9.71924   9.73357   9.77304
 Alpha virt. eigenvalues --    9.79721   9.79843  10.60007  10.61535  10.64403
 Alpha virt. eigenvalues --   10.67520  10.87943  10.90304  11.37846  11.41272
 Alpha virt. eigenvalues --   11.57162  11.58053  14.43208  14.46649  14.49537
 Alpha virt. eigenvalues --   14.51497  14.65367  14.66740  14.80866  14.82279
 Alpha virt. eigenvalues --   15.09998  15.10934  25.04890  25.07484  25.87814
 Alpha virt. eigenvalues --   26.15255  26.18457  36.78080  36.78872  50.39796
 Alpha virt. eigenvalues --   50.42232
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.571279   0.288257   0.140417  -0.102893  -0.043046   0.010284
     2  O    0.288257   8.754507  -0.192230   0.007692  -0.020213  -0.012641
     3  N    0.140417  -0.192230   8.108785   0.044184  -0.078087   0.012563
     4  C   -0.102893   0.007692   0.044184   6.497160  -1.046216  -0.106116
     5  C   -0.043046  -0.020213  -0.078087  -1.046216   5.934219   0.357765
     6  O    0.010284  -0.012641   0.012563  -0.106116   0.357765   8.722713
     7  N    0.000938  -0.001960   0.006034  -0.319195   0.057458  -0.217904
     8  H    0.012226  -0.011372   0.000161   0.460808  -0.110592  -0.000943
     9  H    0.011714   0.007182  -0.081805   0.404253  -0.013974  -0.000884
    10  H   -0.015972   0.003032   0.282603  -0.004293  -0.022000   0.004004
    11  H   -0.002775  -0.000747   0.004079   0.033525  -0.030892   0.010839
    12  C    0.001500  -0.000378   0.005597  -0.067401  -0.089353  -0.010543
    13  H   -0.000391   0.000031   0.000072   0.006469   0.003888   0.004493
    14  H    0.002271   0.000634  -0.001530  -0.011369   0.035473   0.004843
    15  H   -0.000783  -0.000192  -0.000336   0.000073  -0.031136  -0.002510
    16  C   -0.565338  -0.071677  -0.414628  -0.085400  -0.036940  -0.003905
    17  H   -0.026005  -0.004809   0.000915   0.018739  -0.007975  -0.000579
    18  H   -0.033780  -0.008099   0.006482   0.000341   0.002892  -0.000137
    19  H   -0.059824   0.006813  -0.033537  -0.016472   0.005379   0.000343
               7          8          9         10         11         12
     1  C    0.000938   0.012226   0.011714  -0.015972  -0.002775   0.001500
     2  O   -0.001960  -0.011372   0.007182   0.003032  -0.000747  -0.000378
     3  N    0.006034   0.000161  -0.081805   0.282603   0.004079   0.005597
     4  C   -0.319195   0.460808   0.404253  -0.004293   0.033525  -0.067401
     5  C    0.057458  -0.110592  -0.013974  -0.022000  -0.030892  -0.089353
     6  O   -0.217904  -0.000943  -0.000884   0.004004   0.010839  -0.010543
     7  N    8.115324  -0.001624  -0.018124   0.006538   0.274585   0.110620
     8  H   -0.001624   0.706171  -0.066887  -0.008729  -0.001414  -0.000253
     9  H   -0.018124  -0.066887   0.787125   0.002210   0.001398  -0.003760
    10  H    0.006538  -0.008729   0.002210   0.495683   0.000051   0.000834
    11  H    0.274585  -0.001414   0.001398   0.000051   0.514290  -0.073573
    12  C    0.110620  -0.000253  -0.003760   0.000834  -0.073573   4.531547
    13  H   -0.056098  -0.000167   0.001052  -0.000020  -0.007766   0.432518
    14  H   -0.061208  -0.000849   0.001386  -0.000466  -0.002259   0.361128
    15  H   -0.037449   0.000434  -0.000428   0.000056  -0.000989   0.416444
    16  C   -0.002268  -0.014025   0.020387  -0.031136  -0.001784   0.000291
    17  H   -0.000133  -0.000492   0.000019   0.000795   0.000049  -0.000086
    18  H   -0.000217   0.000338  -0.000570   0.000253   0.000029  -0.000036
    19  H    0.000283   0.000353   0.000998  -0.002956  -0.000075   0.000146
              13         14         15         16         17         18
     1  C   -0.000391   0.002271  -0.000783  -0.565338  -0.026005  -0.033780
     2  O    0.000031   0.000634  -0.000192  -0.071677  -0.004809  -0.008099
     3  N    0.000072  -0.001530  -0.000336  -0.414628   0.000915   0.006482
     4  C    0.006469  -0.011369   0.000073  -0.085400   0.018739   0.000341
     5  C    0.003888   0.035473  -0.031136  -0.036940  -0.007975   0.002892
     6  O    0.004493   0.004843  -0.002510  -0.003905  -0.000579  -0.000137
     7  N   -0.056098  -0.061208  -0.037449  -0.002268  -0.000133  -0.000217
     8  H   -0.000167  -0.000849   0.000434  -0.014025  -0.000492   0.000338
     9  H    0.001052   0.001386  -0.000428   0.020387   0.000019  -0.000570
    10  H   -0.000020  -0.000466   0.000056  -0.031136   0.000795   0.000253
    11  H   -0.007766  -0.002259  -0.000989  -0.001784   0.000049   0.000029
    12  C    0.432518   0.361128   0.416444   0.000291  -0.000086  -0.000036
    13  H    0.783589  -0.058264  -0.091914   0.000141   0.000004  -0.000007
    14  H   -0.058264   0.744598  -0.043762   0.000477  -0.000017   0.000051
    15  H   -0.091914  -0.043762   0.785442  -0.000208  -0.000004  -0.000003
    16  C    0.000141   0.000477  -0.000208   6.018054   0.386157   0.398688
    17  H    0.000004  -0.000017  -0.000004   0.386157   0.680656  -0.035162
    18  H   -0.000007   0.000051  -0.000003   0.398688  -0.035162   0.692632
    19  H    0.000002  -0.000010   0.000008   0.449182  -0.058643  -0.054820
              19
     1  C   -0.059824
     2  O    0.006813
     3  N   -0.033537
     4  C   -0.016472
     5  C    0.005379
     6  O    0.000343
     7  N    0.000283
     8  H    0.000353
     9  H    0.000998
    10  H   -0.002956
    11  H   -0.000075
    12  C    0.000146
    13  H    0.000002
    14  H   -0.000010
    15  H    0.000008
    16  C    0.449182
    17  H   -0.058643
    18  H   -0.054820
    19  H    0.806745
 Mulliken charges:
               1
     1  C    0.811920
     2  O   -0.743829
     3  N   -0.809738
     4  C    0.286111
     5  C    1.133350
     6  O   -0.771687
     7  N   -0.855601
     8  H    0.036855
     9  H   -0.051294
    10  H    0.289510
    11  H    0.283431
    12  C    0.384758
    13  H   -0.017631
    14  H    0.028873
    15  H    0.007258
    16  C   -0.046067
    17  H    0.046573
    18  H    0.031125
    19  H   -0.043917
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.811920
     2  O   -0.743829
     3  N   -0.520227
     4  C    0.271672
     5  C    1.133350
     6  O   -0.771687
     7  N   -0.572170
    12  C    0.403258
    16  C   -0.012287
 Electronic spatial extent (au):  <R**2>=           1671.6998
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.3643    Y=              6.1387    Z=             -1.1009  Tot=              6.6698
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -39.8596   YY=            -55.1338   ZZ=            -54.8972
   XY=              1.2238   XZ=             -6.7389   YZ=              1.3835
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             10.1040   YY=             -5.1703   ZZ=             -4.9337
   XY=              1.2238   XZ=             -6.7389   YZ=              1.3835
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -24.4210  YYY=             12.0954  ZZZ=              0.0996  XYY=             -6.8760
  XXY=              9.9333  XXZ=            -10.6106  XZZ=             -3.0919  YZZ=              3.4087
  YYZ=             -3.7994  XYZ=              2.1305
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1583.6158 YYYY=           -242.7633 ZZZZ=           -151.2491 XXXY=              0.0840
 XXXZ=             -8.3766 YYYX=             -8.2705 YYYZ=             -0.9470 ZZZX=             -3.7885
 ZZZY=             -1.2973 XXYY=           -333.0742 XXZZ=           -324.1870 YYZZ=            -66.0770
 XXYZ=             13.8221 YYXZ=            -15.2574 ZZXY=              6.6570
 N-N= 4.523518927573D+02 E-N=-1.972169391560D+03  KE= 4.538877989061D+02
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 L-G09RevD.01\State=1-A\HF=-456.5109086\RMSD=5.279e-09\Dipole=-0.422282
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 020832,-4.3165433,1.0425531\PG=C01 [X(C5H10N2O2)]\\@


 CHILDREN YOU ARE VERY LITTLE,
 AND YOUR BONES ARE VERY BRITTLE;
 IF YOU WOULD GROW GREAT AND STATELY
 YOU MUST TRY TO WALK SEDATELY.
 YOU MUST STILL BE BRIGHT AND QUIET,
 AND CONTENT WITH SIMPLE DIET;
 AND REMAIN, THROUGH ALL BEWILD'RING
 INNOCENT AND HONEST CHILDREN.
     -- A CHILD'S GARDEN OF VERSE,
        ROBERT LOUIS STEVENSON
 Job cpu time:       0 days  0 hours 28 minutes 27.3 seconds.
 File lengths (MBytes):  RWF=    147 Int=      0 D2E=      0 Chk=     14 Scr=      1
 Normal termination of Gaussian 09 at Wed Jun 17 11:28:24 2020.
